Geometry & MOs

Info

ID:	4721
PubChem CID:	11921
Reduced:	ClNO2H6C7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	171.008706
ΔH_f, kcal/mol:	5.46
Dipole, Da:	4.53
IP(EA), eV:	-10.45(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-2-nitrobenzene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCl)[N+](=O)[O-]

DOS

IR

Vibrations